6QJ7
 
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7AMC
 | | SmBRD3(2), Bromodomain 2 of the Bromodomain 3 protein from Schistosoma mansoni in complex with iBET726 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid, GLYCEROL, ... | | Authors: | Schiedel, M, McDonough, M.A, Conway, S.J. | | Deposit date: | 2020-10-08 | | Release date: | 2021-10-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.22 Å) | | Cite: | SBM3, Bromodomain 3 from Schistosoma mansoni in complex with iBET726
To Be Published
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8GAU
 | | Structure of human NDS.1 Fab and 1G01 Fab in complex with influenza virus neuraminidase from A/Indiana/10/2011 (H3N2v) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 1G01, heavy chain, ... | | Authors: | Tsybovsky, Y, Lederhofer, J, Kwong, P.D, Kanekiyo, M. | | Deposit date: | 2023-02-23 | | Release date: | 2024-02-28 | | Last modified: | 2025-06-04 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Protective human monoclonal antibodies target conserved sites of vulnerability on the underside of influenza virus neuraminidase.
Immunity, 57, 2024
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1ANR
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8UVY
 | | Structure of AKT1(E17K) with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, NB41, ... | | Authors: | Craven, G.B, Taunton, J. | | Deposit date: | 2023-11-05 | | Release date: | 2024-09-04 | | Last modified: | 2025-01-08 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Mutant-selective AKT inhibition through lysine targeting and neo-zinc chelation.
Nature, 637, 2025
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9E42
 | | RTA-RUNT-192 complex | | Descriptor: | 1,2-ETHANEDIOL, 5-(2,6-diethylphenyl)thiophene-2-carboxylic acid, Ricin A chain | | Authors: | Rudolph, M.J, Tumer, N. | | Deposit date: | 2024-10-24 | | Release date: | 2025-05-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding of small molecules at the P-stalk site of ricin A subunit trigger conformational changes that extend into the active site.
J.Biol.Chem., 301, 2025
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8UM0
 | | The structure of NanH in complex with Neu5,7,9Ac(2,6)-LAcNAc | | Descriptor: | 1,2-ETHANEDIOL, 5-acetamido-7,9-di-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, Sialidase, ... | | Authors: | Medley, B.J, Boraston, A.B. | | Deposit date: | 2023-10-17 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | A "terminal" case of glycan catabolism: Structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 300, 2024
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8E0R
 | | Crystal structure of mouse APCDD1 in P21 space group | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein APCDD1 | | Authors: | Hsieh, F.L, Chang, T.H, Gabelli, S.B, Nathans, J. | | Deposit date: | 2022-08-09 | | Release date: | 2023-05-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of WNT inhibitor adenomatosis polyposis coli down-regulated 1 (APCDD1), a cell-surface lipid-binding protein.
Proc.Natl.Acad.Sci.USA, 120, 2023
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4R1L
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7AP5
 | | Crystal structure of phycoerythrin from cyanobacterium Nostoc sp. WR13 contains multiple stacks of hexameric assemblies which resemble the rods of phycobilisome. | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ... | | Authors: | Patel, H.M, Roszak, A.W, Cogdell, R.J, Madamwar, D, Liu, H, Gross, M.L, Blankenship, R.E. | | Deposit date: | 2020-10-15 | | Release date: | 2021-11-17 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.131 Å) | | Cite: | The crystal stacks of hexameric assemblies of phycoerythrin from cyanobacterium Nostoc sp. WR13 resemble rods of phycobilisome
To Be Published
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5N2M
 | | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate | | Authors: | Tallant, C, Slavish, P.J, Siejka, P, Bharatham, N, Shadrick, W.R, Chai, S, Young, B.M, Boyd, V.A, Heroven, C, Wiggers, H.J, Picaud, S, Fedorov, O, Krojer, T, Chen, T, Lee, R.E, Guy, R.K, Shelat, A.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-02-07 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Crystal structure of the first bromodomain of human BRD4 in complex with a tetrahydroquinoline analogue
To Be Published
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6QEB
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6B4E
 | | Crystal structure of Saccharomyces cerevisiae Gle1 CTD-Nup42 GBM complex | | Descriptor: | 1,2-ETHANEDIOL, Nucleoporin GLE1, Nucleoporin NUP42, ... | | Authors: | Lin, D.H, Correia, A.R, Cai, S.W, Huber, F.M, Jette, C.A, Hoelz, A. | | Deposit date: | 2017-09-26 | | Release date: | 2018-06-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural and functional analysis of mRNA export regulation by the nuclear pore complex.
Nat Commun, 9, 2018
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5KHO
 | | Rasip1 RA domain in complex with Rap1B | | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Gingras, A.R. | | Deposit date: | 2016-06-15 | | Release date: | 2016-10-19 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.78 Å) | | Cite: | Structural Basis of Dimeric Rasip1 RA Domain Recognition of the Ras Subfamily of GTP-Binding Proteins.
Structure, 24, 2016
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7AU3
 | | Cytochrome c oxidase structure in F-state | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, CALCIUM ION, COPPER (II) ION, ... | | Authors: | Kolbe, F, Safarian, S, Michel, H. | | Deposit date: | 2020-11-02 | | Release date: | 2021-12-01 | | Last modified: | 2025-07-02 | | Method: | ELECTRON MICROSCOPY (2.56 Å) | | Cite: | Cytochrome c oxidase structure in F-state
To Be Published
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8GYN
 | | zebrafish TIPE1 strucutre in complex with PE | | Descriptor: | Tumor necrosis factor alpha-induced protein 8-like protein 1, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate | | Authors: | Wang, W, Cao, S.J. | | Deposit date: | 2022-09-23 | | Release date: | 2023-04-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Structural insight into TIPE1 functioning as a lipid transfer protein.
J.Biomol.Struct.Dyn., 41, 2023
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9FUQ
 | | MsbA in DDM inward-facing wide open | | Descriptor: | 1,2-Distearoyl-sn-glycerophosphoethanolamine, ATP-dependent lipid A-core flippase | | Authors: | Hoffmann, L, Baier, A, Jorde, L, Kamel, M, Schaefer, J, Schnelle, K, Scholz, A, Shvarev, D, Wong, J, Parey, K, Januliene, D, Moeller, A. | | Deposit date: | 2024-06-26 | | Release date: | 2025-03-19 | | Last modified: | 2025-07-09 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The ABC transporter MsbA in a dozen environments.
Structure, 33, 2025
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8PTS
 | | human GUK1 in complex with compound AT8001 | | Descriptor: | GLYCEROL, Guanylate kinase, [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | | Authors: | Zimberger, C, Canard, B, Ferron, F. | | Deposit date: | 2023-07-14 | | Release date: | 2024-07-24 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | The activation cascade of the broad-spectrum antiviral bemnifosbuvir characterized at atomic resolution.
Plos Biol., 22, 2024
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7PQK
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5KD5
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8E8Z
 | | 9H2 Fab-Sabin poliovirus 1 complex | | Descriptor: | 9H2 Fab heavy chain, 9H2 Fab light chain, Capsid protein VP1, ... | | Authors: | Charnesky, A.J. | | Deposit date: | 2022-08-26 | | Release date: | 2023-06-21 | | Last modified: | 2025-05-21 | | Method: | ELECTRON MICROSCOPY (3.15 Å) | | Cite: | A human monoclonal antibody binds within the poliovirus receptor-binding site to neutralize all three serotypes.
Nat Commun, 14, 2023
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7PQH
 | | Cryo-EM structure of Saccharomyces cerevisiae TOROID (TORC1 Organized in Inhibited Domains). | | Descriptor: | Serine/threonine-protein kinase TOR2, Target of rapamycin complex 1 subunit KOG1,Target of rapamycin complex 1 subunit Kog1, Target of rapamycin complex subunit LST8 | | Authors: | Felix, J, Prouteau, M, Bourgoint, C, Bonadei, L, Desfosses, A, Gabus, C, Sadian, Y, Savvides, S.N, Gutsche, I, Loewith, R. | | Deposit date: | 2021-09-17 | | Release date: | 2023-01-18 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.87 Å) | | Cite: | EGOC inhibits TOROID polymerization by structurally activating TORC1.
Nat.Struct.Mol.Biol., 30, 2023
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8DPO
 | | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide | | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase, SULFATE ION, ... | | Authors: | Marapaka, A.K, Das, C, Flaherty, D.P, Yadav, R. | | Deposit date: | 2022-07-15 | | Release date: | 2023-07-19 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with Acetazolamide
To Be Published
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6SIZ
 | | PaaK family AMP-ligase with ANP and substrate | | Descriptor: | 1,2-ETHANEDIOL, 3-HYDROXYANTHRANILIC ACID, AMP-dependent synthetase and ligase, ... | | Authors: | Naismith, J.H, Song, H. | | Deposit date: | 2019-08-12 | | Release date: | 2020-01-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | The Biosynthesis of the Benzoxazole in Nataxazole Proceeds via an Unstable Ester and has Synthetic Utility.
Angew.Chem.Int.Ed.Engl., 59, 2020
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4RDW
 | | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-Guanidino-L-Glutaric acid | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Fedorov, A.A, Fedorov, E.V, Marti-Arbona, R, Raushel, F.M, Almo, S.C. | | Deposit date: | 2014-09-19 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.591 Å) | | Cite: | The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-Guanidino-L-Glutaric acid
To be Published
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